CHEMBL541455


SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey NNKNPNUOGFMYAG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 463.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 7.46 7.46 7.46 ChEMBL
A3 AA3R Human Adenosine A pKi 7.35 7.8 8.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.22 7.31 7.36 ChEMBL
A1 AA1R Human Adenosine A pKi 6.89 6.9 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.68 6.68 6.68 ChEMBL